| SpectraBase Spectrum ID |
ATksBox1t3n |
| Name |
4-(1-(4-(4-Methoxyphenyl)-1-tosyl-1,2-dihydroquinolin-3-yl)ethyl)phenol |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
511.181729588 u |
| Formula |
C31H29NO4S |
| InChI |
InChI=1S/C31H29NO4S/c1-21-8-18-27(19-9-21)37(34,35)32-20-29(22(2)23-10-14-25(33)15-11-23)31(28-6-4-5-7-30(28)32)24-12-16-26(36-3)17-13-24/h4-19,22,33H,20H2,1-3H3 |
| InChIKey |
YTAJFZGBILRQBS-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ or 7000 Thermo Deca XP |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201406503 |
| Molecular Weight |
511.636 g/mol |
| Quality |
64 |
| Reported Formula |
C31H29O4NS |
| SMILES |
OC1=CC=C(C(C2=C(C3=CC=C(OC)C=C3)C3=C(N(C2)S(C2=CC=C(C=C2)C)(=O)=O)C=CC=C3)C)C=C1 |
| SPLASH |
splash10-0006-0900000000-56871a919e7baa23f945 |
| Source of Spectrum |
QE-21-SM17-4b (DOI: 10.1002/chem.201406503) |
| Thin-Layer Chromatography |
0.22 (Hex/EtOAc, 3:1) |
| Wiley ID |
1906430 |
